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The Journal of Physical Chemistry. A|August 2, 2011
Implementation of a protein reduced point charge model toward molecular dynamics applicationsLaurence Leherte, Daniel P VercauterenJournal of Chemical Theory and Computation|November 26, 2015
Coarse Point Charge Models For Proteins From Smoothed Molecular Electrostatic PotentialsLaurence Leherte, Daniel P VercauterenJournal of Computer-Aided Molecular Design|September 15, 2011
Charge density distributions derived from smoothed electrostatic potential functions: design of protein reduced point charge modelsLaurence Leherte, Daniel P VercauterenJournal of Computational Chemistry|February 14, 2008
Collective motions of rigid fragments in protein structures from smoothed electron density distributionsLaurence Leherte, Daniel P VercauterenJournal of Molecular Graphics & Modelling|December 10, 2013
Evaluation of reduced point charge models of proteins through Molecular Dynamics simulations: application to the Vps27 UIM-1-Ubiquitin complexLaurence Leherte, Daniel P VercauterenThe Journal of Physical Chemistry. B|October 3, 2017
Reduced Point Charge Models of Proteins: Effect of Protein-Water Interactions in Molecular Dynamics Simulations of Ubiquitin SystemsLaurence Leherte, Daniel P VercauterenJournal of Chemical Theory and Computation|November 18, 2015
A coarse-grained simulation study of the structures, energetics, and dynamics of linear and circular DNA with its ionsAymeric Naômé, Aatto Laaksonen, Daniel P VercauterenJournal of Computer-Aided Molecular Design|November 18, 2005
Influence of conformation on the representation of small flexible molecules at low resolution: alignment of endothiapepsin ligandsLaurence Leherte, Nathalie Meurice, Daniel P VercauterenJournal of Chemical Theory and Computation|November 21, 2015
A Solvent-Mediated Coarse-Grained Model of DNA Derived with the Systematic Newton Inversion MethodAymeric Naômé, Aatto Laaksonen, Daniel P VercauterenJournal of Molecular Modeling|May 13, 2005
Evaluating molecular similarity using reduced representations of the electron densityNathalie Meurice, Gerald M Maggiora, Daniel P VercauterenPageof 3